SCHEMBL7842686

SCHEMBL7842686

Nc1ccc2c(c1)CN(CCCCN1C(=O)c3ccccc3C1=O)CC2

nearest known ligand 0.74

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 6/20 0.74
HTR7 P34969 6/20 0.74
DRD3 P35462 2/20 0.74
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.49
HPGD P15428 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
GRIN1 Q05586 1/20 0.47
GRIN2B Q13224 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7983132 0.86 HTR7 (1.00) HTR1AHTR7DRD3ALDH1A1LMNA
SCHEMBL7852411 0.85 HTR1A (0.74) HTR1AHTR7DRD3ALDH1A1LMNA
SCHEMBL6974786 0.85 HTR1A (0.74) HTR1AHTR7DRD3ALDH1A1LMNA
SCHEMBL7983795 0.83 HTR7 (0.94) HTR1AHTR7DRD3ALDH1A1LMNA
SCHEMBL6974327 0.82 HTR1A (0.70) HTR1AHTR7DRD3
SCHEMBL7854593 0.82 DRD3 (0.65) HTR1AHTR7DRD3
SCHEMBL4221510 0.81 GRIN1 (0.71) HTR1AHTR7DRD3GRIN1GRIN2B
SCHEMBL7843456 0.80 HTR1A (0.65) HTR1AHTR7DRD3ALDH1A1LMNA
SCHEMBL7853889 0.80 DRD3 (0.65) HTR1AHTR7DRD3
SCHEMBL7852595 0.80 DRD3 (0.65) HTR1AHTR7DRD3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0922035-B1 TETRAHYDROISOQUINOLINE DERIVATIVES AND THEIR PHARMACEUTICAL USE SMITHKLINE BEECHAM PLC (GB) 2001-02-07 EP disclosed
US-6143762-A DRUGS AS DOPAMINE ANTAGONIST PSYCHOLOGICAL DISORDERS SMITHKLINE BEECHAM, PLC (GB) 2000-11-07 US disclosed
EP-0922035-A1 TETRAHYDROISOQUINOLINE DERIVATIVES AND THEIR PHARMACEUTICAL USE SMITHKLINE BEECHAM PLC (GB) 1999-06-16 EP disclosed
WO-1998006699-A1 TETRAHYDROISOQUINOLINE DERIVATIVES AND THEIR PHARMACEUTICAL USE SMITHKLINE BEECHAM PLC (GB) 1998-02-19 WO disclosed